2-(1-benzothiophen-3-yl)-2,2-difluoroethanol

C10H8F2OS — CID 67815156

IUPAC2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1csc2ccccc12
InChIInChI=1S/C10H8F2OS/c11-10(12,6-13)8-5-14-9-4-2-1-3-7(8)9/h1-5,13H,6H2
InChIKeyFJGXNAOEDWBCPL-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.99
Rot. Bonds2

About 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol

2-(1-benzothiophen-3-yl)-2,2-difluoroethanol (PubChem CID 67815156) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
PubChem CID67815156
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
SMILESOCC(F)(F)c1csc2ccccc12
InChIInChI=1S/C10H8F2OS/c11-10(12,6-13)8-5-14-9-4-2-1-3-7(8)9/h1-5,13H,6H2
InChIKeyFJGXNAOEDWBCPL-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1,2,2,2-pentafluoroethyl)-1-benzothiophene
CID 102259233
4-(1-benzothiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297334
3-(1,1-difluoroethyl)-1-benzothiophene;ethane
CID 154677348
3-(1,1-difluoro-2-methylpropyl)-1-benzothiophene
CID 116841490
1-(1-benzothiophen-3-yl)-1,1-difluoropropan-2-amine
CID 116839342
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241342
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
3-(2-iodopentan-2-yl)-1-benzothiophene
CID 146406254
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
3-(1-benzothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 79830281
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol (CID 67815156) is 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol is OCC(F)(F)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol?
The InChIKey is FJGXNAOEDWBCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c11-10(12,6-13)8-5-14-9-4-2-1-3-7(8)9/h1-5,13H,6H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol?
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol has a molecular weight of 214.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 67815156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).